N-(Phenylmethyl)-5'-Adenylic Acid
[CAS# 13484-66-7]

Identification

• Name: N-(Phenylmethyl)-5'-Adenylic Acid
• Synonyms: [3,4-Dihydroxy-5-[6-(Phenylmethylamino)Purin-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [3,4-Dihydroxy-5-[6-(Phenylmethylamino)-9-Purinyl]-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [5-[6-(Benzylamino)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₇H₂₀N₅O₇P
• Molecular Weight: 437.35
• CAS Registry Number: 13484-66-7
• SMILES: C1=NC3=C([N]1C2OC(CO[P](=O)(O)O)C(C2O)O)N=CN=C3NCC4=CC=CC=C4
• InChI: 1S/C17H20N5O7P/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27)
• InChIKey: DWVANBHPEPSMOV-UHFFFAOYSA-N

Properties

• Density: 1.811g/cm³ (Cal.)
• Boiling point: 798.547°C at 760 mmHg (Cal.)
• Flash point: 436.745°C (Cal.)